7QB5
Coxsackievirus A24v (CVA24v) in complex with a dimeric C2-C9-linked sialic acid inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | DECTRIS PILATUS 6M |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 305.763, 365.707, 366.921 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.922 - 1.728 |
| Rwork | 0.166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q4w |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.357 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.728 | 1.730 |
| Rmeas | 0.158 | 0.790 |
| Number of reflections | 6338512 | 973400 |
| <I/σ(I)> | 6.5 | 1.4 |
| Completeness [%] | 91.4 | 93.3 |
| Redundancy | 6.6 | 3.1 |
| CC(1/2) | 0.992 | 0.604 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 200 mM Magnesium chloride, 3.4 M 1,6-Hexanediol, 100 mM HEPES pH 7.5 |
